Structure of PDB 2c1h Chain A Binding Site BS01

Receptor Information
>2c1h Chain A (length=319) Species: 1098 (Prosthecochloris vibrioformis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VHRPRRLRRTAALRNLVQENTLTVNDLVFPLFVMPGTNAVEEVSSMPGSF
RFTIDRAVEECKELYDLGIQGIDLFGIPEQKTEDGSEAYNDNGILQQAIR
AIKKAVPELCIMTDVALDPFTPFGHDGLVKDGIILNDETVEVLQKMAVSH
AEAGADFVSPSDMMDGRIGAIREALDETDHSDVGILSYAAKYASSFYGPF
RDALHSAPQFGDKSTYQMNPANTEEAMKEVELDIVEGADIVMVKPGLAYL
DIVWRTKERFDVPVAIYHVSGEYAMVKAAAAKGWIDEDRVMMESLLCMKR
AGADIIFTYYAKEAAKKLR
Ligand information
Ligand IDDSB
InChIInChI=1S/C10H14O6/c11-7(3-5-9(13)14)1-2-8(12)4-6-10(15)16/h1-6H2,(H,13,14)(H,15,16)
InChIKeyDUAWJQCMZICMIK-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C(CCC(=O)CCC(=O)O)CCC(=O)O
CACTVS 3.341OC(=O)CCC(=O)CCC(=O)CCC(O)=O
OpenEye OEToolkits 1.5.0C(CC(=O)CCC(=O)O)C(=O)CCC(=O)O
FormulaC10 H14 O6
Name4,7-DIOXOSEBACIC ACID
ChEMBL
DrugBankDB04560
ZINCZINC000003870974
PDB chain2c1h Chain A Residue 1330 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2c1h Structure of Chlorobium Vibrioforme 5-Aminolaevulinic Acid Dehydratase Complexed with a Diacid Inhibitor.
Resolution2.6 Å
Binding residue
(original residue number in PDB)		S170 K200 Y206 F209 R210 K222 K253 Y276 V278 S279 Y318
Binding residue
(residue number reindexed from 1)		S161 K191 Y197 F200 R201 K213 K244 Y267 V269 S270 Y309
Annotation score3
Enzymatic activity
Catalytic site (original residue number in PDB) K200 K253
Catalytic site (residue number reindexed from 1) K191 K244
Enzyme Commision number 4.2.1.24: porphobilinogen synthase.
Gene Ontology
Molecular Function
GO:0004655 porphobilinogen synthase activity
GO:0008270 zinc ion binding
GO:0016829 lyase activity
GO:0046872 metal ion binding
Biological Process
GO:0006782 protoporphyrinogen IX biosynthetic process
GO:0006783 heme biosynthetic process
GO:0033014 tetrapyrrole biosynthetic process
Cellular Component
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:2c1h, PDBe:2c1h, PDBj:2c1h
PDBsum2c1h
PubMed16304458
UniProtQ59334|HEM2_CHLP8 Delta-aminolevulinic acid dehydratase (Gene Name=hemB)

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